1-hexyl-2-methylimidazole;bis(1-methylimidazole);hydroiodide

C18H31IN6 — CID 175335036

IUPAC1-hexyl-2-methylimidazole;bis(1-methylimidazole);hydroiodide
SMILESCCCCCCn1ccnc1C.Cn1ccnc1.Cn1ccnc1.I
InChIInChI=1S/C10H18N2.2C4H6N2.HI/c1-3-4-5-6-8-12-9-7-11-10(12)2;2*1-6-3-2-5-4-6;/h7,9H,3-6,8H2,1-2H3;2*2-4H,1H3;1H
InChIKeyMJTMFMVZBSRYTG-UHFFFAOYSA-N
MW458.39 g/mol
LogP4.23
Rot. Bonds5

About 1-hexyl-2-methylimidazole;bis(1-methylimidazole);hydroiodide

1-hexyl-2-methylimidazole;bis(1-methylimidazole);hydroiodide (PubChem CID 175335036) has the molecular formula C18H31IN6 and a molecular weight of 458.39 g/mol. Its IUPAC name is 1-hexyl-2-methylimidazole;bis(1-methylimidazole);hydroiodide.

Molecular Properties

Compound Name1-hexyl-2-methylimidazole;bis(1-methylimidazole);hydroiodide
PubChem CID175335036
Molecular FormulaC18H31IN6
Molecular Weight458.39 g/mol
Exact Mass458.17
IUPAC Name1-hexyl-2-methylimidazole;bis(1-methylimidazole);hydroiodide
SMILESCCCCCCn1ccnc1C.Cn1ccnc1.Cn1ccnc1.I
InChIInChI=1S/C10H18N2.2C4H6N2.HI/c1-3-4-5-6-8-12-9-7-11-10(12)2;2*1-6-3-2-5-4-6;/h7,9H,3-6,8H2,1-2H3;2*2-4H,1H3;1H
InChIKeyMJTMFMVZBSRYTG-UHFFFAOYSA-N
XLogP4.23
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.39
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-hexyl-2-methylimidazole;bis(1-methylimidazole);hydroiodide?
The IUPAC name of 1-hexyl-2-methylimidazole;bis(1-methylimidazole);hydroiodide (CID 175335036) is 1-hexyl-2-methylimidazole;bis(1-methylimidazole);hydroiodide.
What is the SMILES notation for 1-hexyl-2-methylimidazole;bis(1-methylimidazole);hydroiodide?
The canonical SMILES for 1-hexyl-2-methylimidazole;bis(1-methylimidazole);hydroiodide is CCCCCCn1ccnc1C.Cn1ccnc1.Cn1ccnc1.I.
What is the InChIKey of 1-hexyl-2-methylimidazole;bis(1-methylimidazole);hydroiodide?
The InChIKey is MJTMFMVZBSRYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.2C4H6N2.HI/c1-3-4-5-6-8-12-9-7-11-10(12)2;2*1-6-3-2-5-4-6;/h7,9H,3-6,8H2,1-2H3;2*2-4H,1H3;1H.
What are the key properties of 1-hexyl-2-methylimidazole;bis(1-methylimidazole);hydroiodide?
1-hexyl-2-methylimidazole;bis(1-methylimidazole);hydroiodide has a molecular weight of 458.39 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2-methylimidazole;bis(1-methylimidazole);hydroiodide is sourced from PubChem (CID 175335036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).